3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide

C19H20Cl2N2O2 — CID 55749646

IUPAC3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-12(2)18(24)23-17-6-4-5-13(7-17)11-22-19(25)14-8-15(20)10-16(21)9-14/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyATCGHAUMKBHXHF-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.91
Rot. Bonds6

About 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide

3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide (PubChem CID 55749646) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
PubChem CID55749646
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-12(2)18(24)23-17-6-4-5-13(7-17)11-22-19(25)14-8-15(20)10-16(21)9-14/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyATCGHAUMKBHXHF-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55868514
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78882027
N-[3-[[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-methylbutanamide
CID 111131496
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55869026
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
2-methyl-N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 111125482
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
1-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]indole-2-carboxamide
CID 55882334

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide (CID 55749646) is 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide is CCC(C)C(=O)Nc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
The InChIKey is ATCGHAUMKBHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-3-12(2)18(24)23-17-6-4-5-13(7-17)11-22-19(25)14-8-15(20)10-16(21)9-14/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide?
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 55749646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).